REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1oii_1_D DATA FIRST_RESID 13 DATA SEQUENCE LELDVHPVAG RIGAEIRGVK LSPDLDAATV EAIQAALVRH KVIFFRGQTH DATA SEQUENCE LDDQSQEGFA KLLGEPVXXX XXXXXXXTRY LLQLDXXXXX RANSWHTDVT DATA SEQUENCE FVEAYPKASI LRSVVAPASG GDTVWANTAA AYQELPEPLR ELADKLWAVH DATA SEQUENCE SNXXXXXXXX XXXXXXXXXX XXXXXXXXXY ETEHPVVRVH PISGERALQL DATA SEQUENCE GHFVKRIKGY SLADSQHLFA VLQGHVTRLE NTVRWRWEAG DVAIWDNRAT DATA SEQUENCE QHYAVDDYGT QPRIVRRVTL AGEVPVGVDG QLSRTTR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 L HA 0.000 nan 4.340 nan 0.000 0.249 13 L C 0.000 176.879 176.870 0.016 0.000 1.165 13 L CA 0.000 54.848 54.840 0.014 0.000 0.813 13 L CB 0.000 42.071 42.059 0.020 0.000 0.961 14 E N 4.881 125.089 120.200 0.014 0.000 2.114 14 E HA 0.601 4.951 4.350 -0.000 0.000 0.266 14 E C -0.183 176.428 176.600 0.018 0.000 0.896 14 E CA -0.517 55.890 56.400 0.012 0.000 0.750 14 E CB 1.603 31.305 29.700 0.003 0.000 1.121 14 E HN 0.647 nan 8.360 nan 0.000 0.413 15 L N 1.337 122.576 121.223 0.025 0.000 2.472 15 L HA 0.290 4.630 4.340 -0.000 0.000 0.260 15 L C 0.853 177.729 176.870 0.010 0.000 1.209 15 L CA -0.409 54.451 54.840 0.033 0.000 0.817 15 L CB 0.422 42.512 42.059 0.051 0.000 1.106 15 L HN 0.485 nan 8.230 nan 0.000 0.479 16 D N 1.272 121.688 120.400 0.028 0.000 2.453 16 D HA 0.239 4.879 4.640 -0.000 0.000 0.223 16 D C -0.886 175.419 176.300 0.008 0.000 1.183 16 D CA -0.083 53.932 54.000 0.025 0.000 0.933 16 D CB 0.386 41.250 40.800 0.107 0.000 1.038 16 D HN 0.048 nan 8.370 nan 0.000 0.513 17 V N 5.268 125.102 119.914 -0.133 0.000 2.398 17 V HA 0.262 4.382 4.120 -0.000 0.000 0.286 17 V C 0.037 175.923 176.094 -0.346 0.000 1.026 17 V CA -0.717 61.488 62.300 -0.159 0.000 0.868 17 V CB 1.568 33.315 31.823 -0.127 0.000 0.982 17 V HN 0.483 nan 8.190 nan 0.000 0.443 18 H N 4.664 123.657 119.070 -0.127 0.000 2.786 18 H HA 0.304 4.860 4.556 -0.000 0.000 0.284 18 H C -2.580 172.669 175.328 -0.131 0.000 1.104 18 H CA -1.935 54.055 56.048 -0.096 0.000 1.339 18 H CB 1.778 31.511 29.762 -0.050 0.000 1.427 18 H HN 0.436 nan 8.280 nan 0.000 0.497 19 P HA -0.121 nan 4.420 nan 0.000 0.263 19 P C 0.917 178.221 177.300 0.007 0.000 1.175 19 P CA 0.238 63.268 63.100 -0.116 0.000 0.761 19 P CB 1.383 33.039 31.700 -0.073 0.000 0.794 20 V N 2.438 122.377 119.914 0.043 0.000 2.484 20 V HA 0.143 4.263 4.120 -0.000 0.000 0.236 20 V C 1.091 177.227 176.094 0.071 0.000 1.062 20 V CA 1.711 64.063 62.300 0.086 0.000 1.081 20 V CB -0.886 31.032 31.823 0.158 0.000 0.751 20 V HN 0.602 nan 8.190 nan 0.000 0.484 21 A N -0.106 122.770 122.820 0.092 0.000 2.261 21 A HA 0.639 4.959 4.320 -0.000 0.000 0.323 21 A C 1.492 179.117 177.584 0.068 0.000 1.107 21 A CA 0.270 52.354 52.037 0.079 0.000 0.883 21 A CB 0.493 19.554 19.000 0.101 0.000 1.251 21 A HN 0.382 nan 8.150 nan 0.000 0.502 22 G N -0.959 107.875 108.800 0.057 0.000 2.422 22 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.218 22 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.218 22 G C 1.164 176.101 174.900 0.061 0.000 1.140 22 G CA 0.873 46.003 45.100 0.050 0.000 0.775 22 G HN 0.672 nan 8.290 nan 0.000 0.545 23 R N -1.264 119.278 120.500 0.070 0.000 2.549 23 R HA 0.541 4.880 4.340 -0.000 0.000 0.344 23 R C -0.388 175.966 176.300 0.090 0.000 0.979 23 R CA -0.131 56.011 56.100 0.069 0.000 1.140 23 R CB 0.912 31.243 30.300 0.052 0.000 1.377 23 R HN 0.362 nan 8.270 nan 0.000 0.541 24 I N -1.061 119.578 120.570 0.115 0.000 2.800 24 I HA 0.482 4.652 4.170 -0.000 0.000 0.294 24 I C -1.771 174.429 176.117 0.139 0.000 1.538 24 I CA -0.198 61.180 61.300 0.131 0.000 1.010 24 I CB 2.170 40.252 38.000 0.138 0.000 1.381 24 I HN 0.212 nan 8.210 nan 0.000 0.462 25 G N 4.678 113.543 108.800 0.107 0.000 3.055 25 G HA2 0.522 4.482 3.960 -0.000 0.000 0.686 25 G HA3 0.522 4.482 3.960 -0.000 0.000 0.686 25 G C -1.173 173.727 174.900 -0.000 0.000 1.087 25 G CA -0.238 44.922 45.100 0.100 0.000 0.779 25 G HN 1.639 nan 8.290 nan 0.000 0.599 26 A N 1.841 124.591 122.820 -0.117 0.000 2.488 26 A HA 0.828 5.148 4.320 -0.000 0.000 0.298 26 A C -0.256 177.251 177.584 -0.128 0.000 1.044 26 A CA -0.033 51.871 52.037 -0.221 0.000 0.693 26 A CB 1.761 20.332 19.000 -0.715 0.000 1.272 26 A HN 1.136 nan 8.150 nan 0.000 0.402 27 E N 2.096 122.283 120.200 -0.022 0.000 2.259 27 E HA 0.523 4.873 4.350 -0.000 0.000 0.281 27 E C -1.073 175.440 176.600 -0.146 0.000 1.027 27 E CA -0.311 56.056 56.400 -0.055 0.000 0.838 27 E CB 0.626 30.375 29.700 0.082 0.000 1.066 27 E HN 0.550 nan 8.360 nan 0.000 0.401 28 I N 4.804 125.156 120.570 -0.363 0.000 2.339 28 I HA 0.349 4.519 4.170 -0.000 0.000 0.290 28 I C 0.259 176.318 176.117 -0.098 0.000 0.994 28 I CA -0.558 60.578 61.300 -0.274 0.000 1.191 28 I CB 1.393 39.087 38.000 -0.510 0.000 1.343 28 I HN 0.386 nan 8.210 nan 0.000 0.458 29 R N 3.282 123.811 120.500 0.049 0.000 2.668 29 R HA 0.606 4.946 4.340 -0.000 0.000 0.279 29 R C 0.643 177.008 176.300 0.108 0.000 0.976 29 R CA -0.298 55.854 56.100 0.086 0.000 0.978 29 R CB 1.588 31.934 30.300 0.076 0.000 1.133 29 R HN 0.899 nan 8.270 nan 0.000 0.484 30 G N 0.304 109.167 108.800 0.104 0.000 2.137 30 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.237 30 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.237 30 G C -0.477 174.480 174.900 0.094 0.000 1.002 30 G CA -0.045 45.106 45.100 0.086 0.000 0.702 30 G HN 0.362 nan 8.290 nan 0.000 0.515 31 V N -0.314 119.684 119.914 0.140 0.000 2.525 31 V HA 0.823 4.943 4.120 -0.000 0.000 0.299 31 V C 0.355 176.494 176.094 0.075 0.000 1.034 31 V CA -0.347 62.027 62.300 0.122 0.000 0.863 31 V CB 1.575 33.534 31.823 0.226 0.000 0.999 31 V HN 0.806 nan 8.190 nan 0.000 0.423 32 K N 5.316 125.705 120.400 -0.019 0.000 2.253 32 K HA 0.741 5.061 4.320 -0.000 0.000 0.277 32 K C -0.540 175.975 176.600 -0.142 0.000 1.053 32 K CA -0.401 55.834 56.287 -0.086 0.000 0.892 32 K CB 0.602 32.949 32.500 -0.254 0.000 1.102 32 K HN 0.713 nan 8.250 nan 0.000 0.469 33 L N 2.490 123.616 121.223 -0.162 0.000 2.426 33 L HA 0.455 4.795 4.340 -0.000 0.000 0.271 33 L C 0.811 177.612 176.870 -0.115 0.000 1.169 33 L CA 0.076 54.645 54.840 -0.451 0.000 0.836 33 L CB 1.031 42.502 42.059 -0.979 0.000 1.112 33 L HN 1.048 nan 8.230 nan 0.000 0.465 34 S N 1.420 117.092 115.700 -0.048 0.000 2.636 34 S HA 0.372 4.842 4.470 -0.000 0.000 0.266 34 S C -2.640 172.076 174.600 0.194 0.000 1.147 34 S CA -0.997 57.259 58.200 0.093 0.000 0.815 34 S CB 1.626 64.844 63.200 0.030 0.000 1.119 34 S HN 0.284 nan 8.310 nan 0.000 0.470 35 P HA 0.153 nan 4.420 nan 0.000 0.234 35 P C -0.136 177.204 177.300 0.066 0.000 1.167 35 P CA 0.835 63.997 63.100 0.103 0.000 0.763 35 P CB -0.155 31.586 31.700 0.069 0.000 0.835 36 D N -1.259 119.177 120.400 0.060 0.000 2.440 36 D HA 0.111 4.751 4.640 -0.000 0.000 0.216 36 D C 0.570 176.890 176.300 0.033 0.000 1.150 36 D CA -0.054 53.966 54.000 0.033 0.000 0.832 36 D CB 0.328 41.138 40.800 0.017 0.000 0.992 36 D HN 0.212 nan 8.370 nan 0.000 0.502 37 L N 2.344 123.603 121.223 0.060 0.000 2.490 37 L HA 0.000 4.340 4.340 -0.000 0.000 0.274 37 L C 0.815 177.708 176.870 0.038 0.000 1.201 37 L CA -0.112 54.763 54.840 0.058 0.000 0.869 37 L CB 0.352 42.480 42.059 0.114 0.000 1.123 37 L HN 0.019 nan 8.230 nan 0.000 0.484 38 D N 1.978 122.395 120.400 0.029 0.000 2.377 38 D HA 0.191 4.831 4.640 -0.000 0.000 0.245 38 D C 0.776 177.087 176.300 0.019 0.000 1.196 38 D CA -0.177 53.835 54.000 0.019 0.000 0.962 38 D CB 1.053 41.862 40.800 0.015 0.000 1.127 38 D HN 0.492 nan 8.370 nan 0.000 0.471 39 A N 0.566 123.391 122.820 0.009 0.000 2.015 39 A HA 0.084 4.404 4.320 -0.000 0.000 0.219 39 A C 2.122 179.712 177.584 0.009 0.000 1.163 39 A CA 1.844 53.883 52.037 0.003 0.000 0.646 39 A CB -1.140 17.858 19.000 -0.004 0.000 0.806 39 A HN 0.692 nan 8.150 nan 0.000 0.448 40 A N -1.110 121.718 122.820 0.014 0.000 1.930 40 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 40 A C 2.269 179.872 177.584 0.031 0.000 1.175 40 A CA 2.137 54.185 52.037 0.018 0.000 0.627 40 A CB -0.962 18.048 19.000 0.017 0.000 0.815 40 A HN 0.401 nan 8.150 nan 0.000 0.443 41 T N -0.587 113.992 114.554 0.041 0.000 2.812 41 T HA -0.062 4.288 4.350 -0.000 0.000 0.264 41 T C 1.875 176.624 174.700 0.081 0.000 1.042 41 T CA 1.412 63.551 62.100 0.065 0.000 1.140 41 T CB -0.272 68.637 68.868 0.069 0.000 0.870 41 T HN 0.134 nan 8.240 nan 0.000 0.445 42 V N 1.616 121.567 119.914 0.062 0.000 2.407 42 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 42 V C 2.509 178.622 176.094 0.032 0.000 1.055 42 V CA 1.851 64.180 62.300 0.049 0.000 1.049 42 V CB -0.508 31.315 31.823 -0.000 0.000 0.662 42 V HN 0.570 nan 8.190 nan 0.000 0.455 43 E N 0.450 120.663 120.200 0.022 0.000 2.072 43 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 43 E C 2.227 178.843 176.600 0.026 0.000 0.985 43 E CA 1.245 57.653 56.400 0.013 0.000 0.801 43 E CB -0.219 29.484 29.700 0.005 0.000 0.750 43 E HN 0.535 nan 8.360 nan 0.000 0.452 44 A N 1.184 124.028 122.820 0.040 0.000 1.972 44 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 44 A C 2.152 179.780 177.584 0.073 0.000 1.169 44 A CA 1.143 53.209 52.037 0.048 0.000 0.635 44 A CB -0.567 18.464 19.000 0.051 0.000 0.810 44 A HN 0.354 nan 8.150 nan 0.000 0.446 45 I N -0.650 119.986 120.570 0.110 0.000 2.179 45 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 45 I C 2.691 178.870 176.117 0.103 0.000 1.088 45 I CA 1.199 62.598 61.300 0.165 0.000 1.357 45 I CB -0.369 37.783 38.000 0.254 0.000 1.051 45 I HN 0.361 nan 8.210 nan 0.000 0.409 46 Q N 0.529 120.363 119.800 0.057 0.000 2.124 46 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 46 Q C 2.401 178.406 176.000 0.009 0.000 0.977 46 Q CA 1.814 57.630 55.803 0.020 0.000 0.850 46 Q CB -0.333 28.403 28.738 -0.003 0.000 0.901 46 Q HN 0.580 nan 8.270 nan 0.000 0.429 47 A N 0.885 123.710 122.820 0.008 0.000 1.897 47 A HA 0.003 4.322 4.320 -0.000 0.000 0.215 47 A C 2.313 179.879 177.584 -0.030 0.000 1.181 47 A CA 1.572 53.599 52.037 -0.016 0.000 0.620 47 A CB -0.527 18.465 19.000 -0.013 0.000 0.821 47 A HN 0.352 nan 8.150 nan 0.000 0.443 48 A N -0.610 122.220 122.820 0.016 0.000 1.969 48 A HA 0.032 4.352 4.320 -0.000 0.000 0.218 48 A C 2.097 179.705 177.584 0.039 0.000 1.169 48 A CA 1.624 53.702 52.037 0.069 0.000 0.635 48 A CB -0.501 18.558 19.000 0.099 0.000 0.810 48 A HN 0.621 nan 8.150 nan 0.000 0.445 49 L N -0.225 121.003 121.223 0.008 0.000 2.027 49 L HA -0.061 4.279 4.340 -0.000 0.000 0.206 49 L C 2.368 179.215 176.870 -0.038 0.000 1.074 49 L CA 1.808 56.639 54.840 -0.014 0.000 0.745 49 L CB -0.578 41.484 42.059 0.005 0.000 0.898 49 L HN 0.130 nan 8.230 nan 0.000 0.433 50 V N 0.214 120.094 119.914 -0.057 0.000 2.287 50 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 50 V C 2.813 178.798 176.094 -0.183 0.000 1.053 50 V CA 2.263 64.490 62.300 -0.123 0.000 1.027 50 V CB -0.749 30.992 31.823 -0.136 0.000 0.646 50 V HN 0.537 nan 8.190 nan 0.000 0.447 51 R N -1.060 119.307 120.500 -0.221 0.000 2.066 51 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 51 R C 2.204 178.259 176.300 -0.407 0.000 1.131 51 R CA 1.507 57.390 56.100 -0.360 0.000 0.955 51 R CB -0.121 29.868 30.300 -0.519 0.000 0.851 51 R HN 0.599 nan 8.270 nan 0.000 0.432 52 H N -0.658 118.366 119.070 -0.077 0.000 2.622 52 H HA 0.203 4.759 4.556 -0.000 0.000 0.269 52 H C 0.647 175.921 175.328 -0.090 0.000 0.977 52 H CA 0.479 56.480 56.048 -0.079 0.000 1.179 52 H CB 0.925 30.624 29.762 -0.104 0.000 1.458 52 H HN 0.069 nan 8.280 nan 0.000 0.531 53 K N -0.473 119.923 120.400 -0.006 0.000 3.658 53 K HA -0.171 4.149 4.320 -0.000 0.000 0.372 53 K C 0.056 176.615 176.600 -0.069 0.000 0.598 53 K CA 1.268 57.558 56.287 0.004 0.000 1.635 53 K CB -0.970 31.563 32.500 0.055 0.000 1.178 53 K HN 0.201 nan 8.250 nan 0.000 0.470 54 V N 1.165 120.935 119.914 -0.240 0.000 2.733 54 V HA 0.694 4.814 4.120 -0.000 0.000 0.306 54 V C -1.307 174.288 176.094 -0.832 0.000 1.084 54 V CA -0.579 61.344 62.300 -0.628 0.000 0.905 54 V CB 1.529 32.637 31.823 -1.192 0.000 1.010 54 V HN 0.280 nan 8.190 nan 0.000 0.424 55 I N 2.768 122.793 120.570 -0.907 0.000 2.646 55 I HA 0.743 4.913 4.170 -0.000 0.000 0.299 55 I C -1.585 173.802 176.117 -1.216 0.000 1.036 55 I CA -0.690 60.064 61.300 -0.909 0.000 1.074 55 I CB 2.302 40.009 38.000 -0.488 0.000 1.258 55 I HN 0.461 nan 8.210 nan 0.000 0.430 56 F N 3.628 123.128 119.950 -0.750 0.000 2.532 56 F HA 0.664 5.191 4.527 -0.000 0.000 0.321 56 F C -0.872 174.502 175.800 -0.710 0.000 1.089 56 F CA -0.642 56.876 58.000 -0.803 0.000 0.926 56 F CB 1.942 40.126 39.000 -1.361 0.000 1.168 56 F HN 0.247 nan 8.300 nan 0.000 0.459 57 F N 2.260 122.180 119.950 -0.050 0.000 2.507 57 F HA 0.586 5.112 4.527 -0.000 0.000 0.328 57 F C 0.049 175.899 175.800 0.084 0.000 1.136 57 F CA -0.929 57.076 58.000 0.009 0.000 0.930 57 F CB 1.599 40.572 39.000 -0.045 0.000 1.166 57 F HN 0.270 nan 8.300 nan 0.000 0.436 58 R N 0.791 121.454 120.500 0.272 0.000 2.643 58 R HA 0.631 4.971 4.340 -0.000 0.000 0.272 58 R C 0.646 177.065 176.300 0.198 0.000 0.995 58 R CA -0.511 55.743 56.100 0.257 0.000 1.032 58 R CB 1.345 31.786 30.300 0.235 0.000 1.126 58 R HN 0.899 nan 8.270 nan 0.000 0.505 59 G N 1.405 110.305 108.800 0.166 0.000 2.221 59 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.265 59 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.265 59 G C 0.065 175.040 174.900 0.124 0.000 1.041 59 G CA -0.075 45.103 45.100 0.129 0.000 0.807 59 G HN 0.468 nan 8.290 nan 0.000 0.502 60 Q N -0.288 119.553 119.800 0.068 0.000 3.122 60 Q HA 0.402 4.742 4.340 -0.000 0.000 0.360 60 Q C 1.917 177.749 176.000 -0.280 0.000 1.300 60 Q CA 0.747 56.479 55.803 -0.118 0.000 0.982 60 Q CB -0.287 28.346 28.738 -0.175 0.000 1.534 60 Q HN 0.758 nan 8.270 nan 0.000 0.474 61 T N -0.027 114.489 114.554 -0.064 0.000 2.867 61 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 61 T C 1.503 176.164 174.700 -0.065 0.000 1.057 61 T CA 1.472 63.551 62.100 -0.035 0.000 1.136 61 T CB -0.500 68.395 68.868 0.045 0.000 0.874 61 T HN 0.526 nan 8.240 nan 0.000 0.466 62 H N -0.073 119.001 119.070 0.008 0.000 2.489 62 H HA 0.130 4.686 4.556 -0.000 0.000 0.293 62 H C 0.920 176.246 175.328 -0.004 0.000 1.066 62 H CA 0.104 56.152 56.048 0.000 0.000 1.305 62 H CB -0.664 29.093 29.762 -0.008 0.000 1.386 62 H HN 0.353 nan 8.280 nan 0.000 0.551 63 L N 2.435 123.294 121.223 -0.607 0.000 2.410 63 L HA 0.249 4.589 4.340 -0.000 0.000 0.273 63 L C 0.312 177.110 176.870 -0.121 0.000 1.144 63 L CA 0.940 55.585 54.840 -0.324 0.000 0.863 63 L CB 0.563 42.377 42.059 -0.408 0.000 1.140 63 L HN 0.566 nan 8.230 nan 0.000 0.463 64 D N 1.430 121.812 120.400 -0.030 0.000 2.689 64 D HA 0.429 5.069 4.640 -0.000 0.000 0.255 64 D C 0.796 177.100 176.300 0.006 0.000 1.113 64 D CA 0.323 54.317 54.000 -0.011 0.000 1.115 64 D CB 0.460 41.265 40.800 0.008 0.000 1.334 64 D HN 0.631 nan 8.370 nan 0.000 0.621 65 D N -2.123 118.284 120.400 0.012 0.000 2.133 65 D HA 0.055 4.695 4.640 -0.000 0.000 0.195 65 D C 2.260 178.582 176.300 0.037 0.000 0.997 65 D CA 3.413 57.426 54.000 0.022 0.000 0.840 65 D CB -1.043 39.767 40.800 0.017 0.000 0.947 65 D HN 0.796 nan 8.370 nan 0.000 0.452 66 Q N -0.933 118.888 119.800 0.035 0.000 2.163 66 Q HA 0.312 4.652 4.340 -0.000 0.000 0.198 66 Q C 2.770 178.806 176.000 0.060 0.000 0.954 66 Q CA 1.968 57.797 55.803 0.043 0.000 0.851 66 Q CB -1.114 27.642 28.738 0.031 0.000 0.928 66 Q HN 0.866 nan 8.270 nan 0.000 0.459 67 S N 0.634 116.370 115.700 0.060 0.000 2.383 67 S HA -0.226 4.244 4.470 -0.000 0.000 0.227 67 S C 2.100 176.763 174.600 0.105 0.000 1.026 67 S CA 1.724 59.972 58.200 0.081 0.000 0.981 67 S CB -0.301 62.949 63.200 0.084 0.000 0.818 67 S HN 0.710 nan 8.310 nan 0.000 0.472 68 Q N 0.175 120.023 119.800 0.079 0.000 2.061 68 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 68 Q C 2.261 178.347 176.000 0.144 0.000 0.984 68 Q CA 2.289 58.157 55.803 0.108 0.000 0.846 68 Q CB -0.436 28.341 28.738 0.065 0.000 0.902 68 Q HN 0.717 nan 8.270 nan 0.000 0.421 69 E N -0.302 119.965 120.200 0.111 0.000 2.150 69 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 69 E C 1.843 178.496 176.600 0.089 0.000 0.985 69 E CA 1.268 57.739 56.400 0.118 0.000 0.814 69 E CB -1.180 28.613 29.700 0.155 0.000 0.752 69 E HN 0.692 nan 8.360 nan 0.000 0.466 70 G N -0.787 108.070 108.800 0.094 0.000 2.408 70 G HA2 0.006 3.966 3.960 -0.000 0.000 0.215 70 G HA3 0.006 3.966 3.960 -0.000 0.000 0.215 70 G C 1.531 176.464 174.900 0.054 0.000 1.156 70 G CA 0.832 45.972 45.100 0.067 0.000 0.793 70 G HN 0.492 nan 8.290 nan 0.000 0.535 71 F N 2.591 122.526 119.950 -0.026 0.000 2.134 71 F HA 0.106 4.633 4.527 -0.000 0.000 0.299 71 F C 2.668 178.425 175.800 -0.071 0.000 1.097 71 F CA 1.246 59.212 58.000 -0.055 0.000 1.264 71 F CB -0.306 38.648 39.000 -0.077 0.000 1.001 71 F HN 0.206 nan 8.300 nan 0.000 0.479 72 A N 0.722 123.380 122.820 -0.271 0.000 1.908 72 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 72 A C 2.322 179.682 177.584 -0.373 0.000 1.181 72 A CA 2.675 54.488 52.037 -0.373 0.000 0.627 72 A CB -1.500 17.415 19.000 -0.141 0.000 0.818 72 A HN 0.461 nan 8.150 nan 0.000 0.445 73 K N 0.017 120.268 120.400 -0.248 0.000 2.280 73 K HA 0.135 4.455 4.320 -0.000 0.000 0.202 73 K C 1.719 178.186 176.600 -0.221 0.000 1.047 73 K CA 1.444 57.609 56.287 -0.204 0.000 0.942 73 K CB -1.110 31.322 32.500 -0.113 0.000 0.739 73 K HN 0.570 nan 8.250 nan 0.000 0.457 74 L N -0.230 120.819 121.223 -0.290 0.000 2.362 74 L HA 0.042 4.382 4.340 -0.000 0.000 0.219 74 L C 2.204 178.902 176.870 -0.287 0.000 1.134 74 L CA 0.657 55.338 54.840 -0.266 0.000 0.807 74 L CB -0.142 41.746 42.059 -0.285 0.000 0.927 74 L HN 0.276 nan 8.230 nan 0.000 0.447 75 L N -1.560 119.447 121.223 -0.360 0.000 2.515 75 L HA 0.336 4.676 4.340 -0.000 0.000 0.223 75 L C 1.032 177.776 176.870 -0.210 0.000 1.079 75 L CA 0.360 55.026 54.840 -0.291 0.000 0.857 75 L CB 0.305 42.152 42.059 -0.353 0.000 1.050 75 L HN 0.318 nan 8.230 nan 0.000 0.476 76 G N -0.652 108.019 108.800 -0.215 0.000 2.356 76 G HA2 0.400 4.360 3.960 -0.000 0.000 0.281 76 G HA3 0.400 4.360 3.960 -0.000 0.000 0.281 76 G C -1.701 173.079 174.900 -0.201 0.000 1.246 76 G CA 0.081 45.072 45.100 -0.182 0.000 0.889 76 G HN -0.124 nan 8.290 nan 0.000 0.486 77 E N 0.613 120.692 120.200 -0.201 0.000 2.114 77 E HA 0.758 5.108 4.350 -0.000 0.000 0.266 77 E C -2.805 173.611 176.600 -0.306 0.000 0.896 77 E CA -1.715 54.544 56.400 -0.234 0.000 0.750 77 E CB 1.247 30.845 29.700 -0.171 0.000 1.121 77 E HN 0.431 nan 8.360 nan 0.000 0.413 78 P HA 0.321 nan 4.420 nan 0.000 0.267 78 P C 0.077 177.095 177.300 -0.470 0.000 1.200 78 P CA 0.237 62.982 63.100 -0.591 0.000 0.772 78 P CB 1.145 32.137 31.700 -1.180 0.000 0.855 91 R N 0.081 120.448 120.500 -0.221 0.000 2.167 91 R HA 0.510 4.850 4.340 -0.000 0.000 0.201 91 R C 1.202 177.159 176.300 -0.571 0.000 1.024 91 R CA 1.857 57.640 56.100 -0.528 0.000 1.053 91 R CB -0.618 29.126 30.300 -0.927 0.000 0.987 91 R HN 0.936 nan 8.270 nan 0.000 0.493 92 Y N -1.424 118.877 120.300 0.001 0.000 2.563 92 Y HA 0.406 4.956 4.550 -0.000 0.000 0.250 92 Y C 0.301 176.204 175.900 0.005 0.000 1.126 92 Y CA -1.168 56.933 58.100 0.001 0.000 1.231 92 Y CB 0.276 38.731 38.460 -0.008 0.000 1.288 92 Y HN 0.126 nan 8.280 nan 0.000 0.537 93 L N 2.440 123.738 121.223 0.125 0.000 2.325 93 L HA 0.580 4.920 4.340 -0.000 0.000 0.284 93 L C -0.183 176.723 176.870 0.060 0.000 1.089 93 L CA -0.035 54.856 54.840 0.085 0.000 0.836 93 L CB 0.062 42.159 42.059 0.064 0.000 1.184 93 L HN 0.170 nan 8.230 nan 0.000 0.444 94 L N 4.968 126.230 121.223 0.065 0.000 2.289 94 L HA 0.590 4.930 4.340 -0.000 0.000 0.285 94 L C -0.024 176.872 176.870 0.044 0.000 1.049 94 L CA -0.636 54.237 54.840 0.056 0.000 0.804 94 L CB 1.141 43.242 42.059 0.071 0.000 1.195 94 L HN 0.788 nan 8.230 nan 0.000 0.428 95 Q N 2.817 122.636 119.800 0.032 0.000 2.278 95 Q HA 0.661 5.001 4.340 -0.000 0.000 0.257 95 Q C -1.585 174.429 176.000 0.022 0.000 0.928 95 Q CA -0.585 55.230 55.803 0.019 0.000 0.932 95 Q CB 1.322 30.066 28.738 0.010 0.000 1.221 95 Q HN 0.709 nan 8.270 nan 0.000 0.434 96 L N 4.479 125.711 121.223 0.014 0.000 2.333 96 L HA 0.496 4.836 4.340 -0.000 0.000 0.280 96 L C -0.641 176.226 176.870 -0.005 0.000 1.004 96 L CA -0.408 54.442 54.840 0.017 0.000 0.820 96 L CB 1.199 43.279 42.059 0.035 0.000 1.247 96 L HN 0.830 nan 8.230 nan 0.000 0.416 104 A N 2.406 125.133 122.820 -0.156 0.000 3.033 104 A HA 0.038 4.358 4.320 -0.000 0.000 0.250 104 A C 0.549 177.844 177.584 -0.482 0.000 1.633 104 A CA -0.275 51.597 52.037 -0.275 0.000 1.290 104 A CB -1.055 17.868 19.000 -0.130 0.000 1.048 104 A HN 0.768 nan 8.150 nan 0.000 0.648 105 N N -0.361 117.987 118.700 -0.585 0.000 3.259 105 N HA 0.248 4.988 4.740 -0.000 0.000 0.308 105 N C -0.324 174.462 175.510 -1.206 0.000 1.334 105 N CA 0.030 52.433 53.050 -1.078 0.000 1.202 105 N CB 0.287 38.405 38.487 -0.615 0.000 1.485 105 N HN 0.098 nan 8.380 nan 0.000 0.549 106 S N 0.211 115.282 115.700 -1.048 0.000 2.533 106 S HA 0.288 4.758 4.470 -0.000 0.000 0.271 106 S C -1.552 172.903 174.600 -0.242 0.000 1.143 106 S CA -0.866 57.006 58.200 -0.545 0.000 0.891 106 S CB 0.575 63.431 63.200 -0.574 0.000 1.105 106 S HN 0.467 nan 8.310 nan 0.000 0.468 107 W N 5.784 127.152 121.300 0.113 0.000 2.304 107 W HA 0.398 5.058 4.660 -0.000 0.000 0.313 107 W C 0.871 177.423 176.519 0.056 0.000 1.323 107 W CA 0.312 57.726 57.345 0.116 0.000 1.223 107 W CB 0.466 30.009 29.460 0.138 0.000 1.237 107 W HN 0.624 nan 8.180 nan 0.000 0.535 108 H N 0.405 119.516 119.070 0.068 0.000 3.014 108 H HA 0.468 5.024 4.556 -0.000 0.000 0.337 108 H C -1.417 173.896 175.328 -0.024 0.000 1.320 108 H CA -1.112 54.924 56.048 -0.020 0.000 1.128 108 H CB 1.031 30.671 29.762 -0.203 0.000 1.862 108 H HN 0.047 nan 8.280 nan 0.000 0.536 109 T N 1.981 116.622 114.554 0.146 0.000 2.824 109 T HA 0.161 4.511 4.350 -0.000 0.000 0.280 109 T C -0.395 174.502 174.700 0.328 0.000 0.995 109 T CA -0.678 61.501 62.100 0.133 0.000 1.009 109 T CB 0.908 69.791 68.868 0.025 0.000 0.955 109 T HN 0.400 nan 8.240 nan 0.000 0.452 110 D N 2.451 123.097 120.400 0.410 0.000 2.417 110 D HA 0.136 4.776 4.640 -0.000 0.000 0.250 110 D C 0.973 177.330 176.300 0.094 0.000 1.166 110 D CA 0.304 54.589 54.000 0.476 0.000 0.881 110 D CB 0.693 41.811 40.800 0.529 0.000 1.164 110 D HN 0.504 nan 8.370 nan 0.000 0.467 111 V N 1.902 121.745 119.914 -0.119 0.000 4.868 111 V HA -0.312 3.808 4.120 -0.000 0.000 0.274 111 V C 1.802 177.359 176.094 -0.896 0.000 0.450 111 V CA 1.599 63.396 62.300 -0.837 0.000 0.773 111 V CB -2.964 28.538 31.823 -0.534 0.000 0.704 111 V HN 0.798 nan 8.190 nan 0.000 1.326 112 T N -2.188 112.004 114.554 -0.604 0.000 3.113 112 T HA -0.023 4.327 4.350 -0.000 0.000 0.263 112 T C 1.132 175.765 174.700 -0.112 0.000 1.143 112 T CA 1.300 63.118 62.100 -0.470 0.000 1.090 112 T CB -0.544 68.094 68.868 -0.383 0.000 0.922 112 T HN 1.043 nan 8.240 nan 0.000 0.521 113 F N 2.315 122.190 119.950 -0.126 0.000 2.699 113 F HA 0.374 4.901 4.527 -0.000 0.000 0.298 113 F C 0.682 176.479 175.800 -0.005 0.000 1.154 113 F CA -0.911 57.084 58.000 -0.009 0.000 1.457 113 F CB -1.189 37.739 39.000 -0.120 0.000 1.106 113 F HN 0.190 nan 8.300 nan 0.000 0.585 114 V N -1.626 118.102 119.914 -0.312 0.000 3.096 114 V HA 0.408 4.528 4.120 -0.000 0.000 0.319 114 V C 1.087 177.243 176.094 0.102 0.000 1.082 114 V CA -0.758 61.466 62.300 -0.127 0.000 1.022 114 V CB 1.654 33.272 31.823 -0.342 0.000 1.103 114 V HN 0.152 nan 8.190 nan 0.000 0.455 115 E N 1.389 121.631 120.200 0.071 0.000 2.033 115 E HA 0.183 4.533 4.350 -0.000 0.000 0.189 115 E C 1.117 177.769 176.600 0.086 0.000 0.979 115 E CA 1.158 57.614 56.400 0.094 0.000 0.802 115 E CB 0.017 29.739 29.700 0.036 0.000 0.763 115 E HN 0.967 nan 8.360 nan 0.000 0.449 116 A N 1.201 124.006 122.820 -0.025 0.000 3.079 116 A HA 0.250 4.570 4.320 -0.000 0.000 0.315 116 A C -0.633 176.852 177.584 -0.166 0.000 1.334 116 A CA -0.609 51.342 52.037 -0.144 0.000 1.048 116 A CB -0.679 18.256 19.000 -0.109 0.000 1.156 116 A HN 0.293 nan 8.150 nan 0.000 0.523 117 Y N -0.195 120.039 120.300 -0.109 0.000 2.330 117 Y HA 0.592 5.142 4.550 -0.000 0.000 0.341 117 Y C -2.627 173.207 175.900 -0.110 0.000 1.278 117 Y CA -3.385 54.622 58.100 -0.155 0.000 1.453 117 Y CB -0.690 37.650 38.460 -0.199 0.000 1.342 117 Y HN 0.267 nan 8.280 nan 0.000 0.590 118 P HA -0.012 nan 4.420 nan 0.000 0.266 118 P C -0.125 177.196 177.300 0.034 0.000 1.193 118 P CA 0.104 63.222 63.100 0.031 0.000 0.770 118 P CB 0.645 32.382 31.700 0.061 0.000 0.836 119 K N 1.629 121.988 120.400 -0.068 0.000 2.361 119 K HA 0.414 4.734 4.320 -0.000 0.000 0.196 119 K C 0.295 176.862 176.600 -0.054 0.000 1.039 119 K CA 0.186 56.431 56.287 -0.070 0.000 1.001 119 K CB 0.383 32.806 32.500 -0.128 0.000 0.795 119 K HN 0.400 nan 8.250 nan 0.000 0.495 120 A N 0.200 122.940 122.820 -0.135 0.000 2.597 120 A HA 0.577 4.897 4.320 -0.000 0.000 0.292 120 A C -1.417 175.889 177.584 -0.463 0.000 1.057 120 A CA -0.816 51.038 52.037 -0.305 0.000 0.674 120 A CB 1.728 20.585 19.000 -0.238 0.000 1.278 120 A HN 0.075 nan 8.150 nan 0.000 0.416 121 S N -0.519 114.633 115.700 -0.914 0.000 2.570 121 S HA 0.784 5.254 4.470 -0.000 0.000 0.286 121 S C -1.080 173.100 174.600 -0.700 0.000 1.099 121 S CA -0.342 57.373 58.200 -0.808 0.000 0.913 121 S CB 1.344 63.931 63.200 -1.021 0.000 1.085 121 S HN 0.580 nan 8.310 nan 0.000 0.480 122 I N 2.478 122.864 120.570 -0.307 0.000 2.410 122 I HA 0.500 4.670 4.170 -0.000 0.000 0.286 122 I C -1.331 174.809 176.117 0.038 0.000 1.009 122 I CA -0.466 60.791 61.300 -0.071 0.000 1.111 122 I CB 1.565 39.592 38.000 0.045 0.000 1.262 122 I HN 0.324 nan 8.210 nan 0.000 0.443 123 L N 7.405 128.743 121.223 0.191 0.000 2.409 123 L HA 0.598 4.938 4.340 -0.000 0.000 0.272 123 L C -0.730 176.311 176.870 0.284 0.000 0.980 123 L CA -0.286 54.714 54.840 0.266 0.000 0.826 123 L CB 1.554 43.930 42.059 0.529 0.000 1.268 123 L HN 0.594 nan 8.230 nan 0.000 0.407 124 R N 2.785 123.360 120.500 0.126 0.000 2.562 124 R HA 0.614 4.954 4.340 -0.000 0.000 0.298 124 R C -0.953 175.329 176.300 -0.029 0.000 0.961 124 R CA -0.433 55.738 56.100 0.118 0.000 0.881 124 R CB 1.806 32.140 30.300 0.057 0.000 1.159 124 R HN 0.704 nan 8.270 nan 0.000 0.450 125 S N 2.821 118.528 115.700 0.012 0.000 2.474 125 S HA 0.157 4.627 4.470 -0.000 0.000 0.276 125 S C 0.763 175.347 174.600 -0.026 0.000 1.227 125 S CA -0.725 57.404 58.200 -0.118 0.000 1.050 125 S CB 1.107 64.353 63.200 0.076 0.000 0.939 125 S HN 0.490 nan 8.310 nan 0.000 0.490 126 V N 5.398 125.271 119.914 -0.069 0.000 2.492 126 V HA 0.192 4.312 4.120 -0.000 0.000 0.241 126 V C 0.226 176.302 176.094 -0.029 0.000 1.041 126 V CA 0.568 62.847 62.300 -0.034 0.000 1.057 126 V CB 0.167 31.968 31.823 -0.037 0.000 0.711 126 V HN 0.724 nan 8.190 nan 0.000 0.468 127 V N 0.763 120.644 119.914 -0.056 0.000 2.483 127 V HA 0.816 4.936 4.120 -0.000 0.000 0.297 127 V C -0.362 175.685 176.094 -0.079 0.000 1.027 127 V CA -0.546 61.726 62.300 -0.047 0.000 0.855 127 V CB 1.243 33.041 31.823 -0.043 0.000 0.995 127 V HN 0.311 nan 8.190 nan 0.000 0.424 128 A N 6.506 129.300 122.820 -0.042 0.000 2.287 128 A HA 0.903 5.223 4.320 -0.000 0.000 0.317 128 A C -2.621 174.939 177.584 -0.041 0.000 1.220 128 A CA -1.711 50.301 52.037 -0.041 0.000 0.835 128 A CB 0.778 19.813 19.000 0.058 0.000 1.180 128 A HN 0.656 nan 8.150 nan 0.000 0.500 129 P HA 0.133 nan 4.420 nan 0.000 0.264 129 P C 0.986 178.285 177.300 -0.002 0.000 1.183 129 P CA 0.586 63.660 63.100 -0.044 0.000 0.763 129 P CB 0.868 32.516 31.700 -0.086 0.000 0.807 130 A N 2.520 125.347 122.820 0.011 0.000 2.015 130 A HA 0.007 4.327 4.320 -0.000 0.000 0.219 130 A C 0.901 178.494 177.584 0.014 0.000 1.163 130 A CA 1.621 53.665 52.037 0.012 0.000 0.646 130 A CB -0.551 18.456 19.000 0.012 0.000 0.806 130 A HN 0.625 nan 8.150 nan 0.000 0.448 131 S N -2.852 112.867 115.700 0.031 0.000 2.549 131 S HA 0.642 5.112 4.470 -0.000 0.000 0.280 131 S C 0.057 174.702 174.600 0.075 0.000 1.109 131 S CA 0.061 58.284 58.200 0.037 0.000 0.905 131 S CB 1.287 64.505 63.200 0.031 0.000 1.081 131 S HN 2.140 nan 8.310 nan 0.000 0.477 132 G N 0.749 109.595 108.800 0.076 0.000 2.760 132 G HA2 0.366 4.325 3.960 -0.000 0.000 0.246 132 G HA3 0.366 4.325 3.960 -0.000 0.000 0.246 132 G C 0.717 175.689 174.900 0.120 0.000 1.359 132 G CA 0.398 45.579 45.100 0.135 0.000 0.861 132 G HN 2.624 nan 8.290 nan 0.000 0.541 133 G N -1.254 107.660 108.800 0.191 0.000 2.144 133 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.218 133 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.218 133 G C 0.092 175.118 174.900 0.210 0.000 0.988 133 G CA 1.047 46.157 45.100 0.017 0.000 0.659 133 G HN 1.285 nan 8.290 nan 0.000 0.522 134 D N 0.679 121.217 120.400 0.231 0.000 2.361 134 D HA 0.549 5.189 4.640 -0.000 0.000 0.239 134 D C 0.700 177.165 176.300 0.274 0.000 1.200 134 D CA 0.804 54.960 54.000 0.260 0.000 0.915 134 D CB 0.697 41.563 40.800 0.111 0.000 1.170 134 D HN 0.110 nan 8.370 nan 0.000 0.444 135 T N -0.048 114.656 114.554 0.251 0.000 2.863 135 T HA 0.548 4.898 4.350 -0.000 0.000 0.285 135 T C -0.450 174.148 174.700 -0.170 0.000 1.009 135 T CA -0.703 61.372 62.100 -0.042 0.000 0.989 135 T CB 1.556 70.338 68.868 -0.142 0.000 1.004 135 T HN 0.008 nan 8.240 nan 0.000 0.455 136 V N 2.290 122.003 119.914 -0.335 0.000 2.628 136 V HA 0.567 4.687 4.120 -0.000 0.000 0.306 136 V C -0.777 175.210 176.094 -0.178 0.000 1.045 136 V CA -1.015 61.240 62.300 -0.074 0.000 0.905 136 V CB 1.918 33.688 31.823 -0.089 0.000 0.997 136 V HN 0.778 nan 8.190 nan 0.000 0.436 137 W N 1.541 122.982 121.300 0.236 0.000 2.689 137 W HA 0.802 5.462 4.660 -0.000 0.000 0.340 137 W C -0.199 176.519 176.519 0.332 0.000 1.060 137 W CA -0.792 56.707 57.345 0.257 0.000 1.218 137 W CB 2.457 31.978 29.460 0.102 0.000 1.410 137 W HN 0.645 nan 8.180 nan 0.000 0.528 138 A N 2.590 125.707 122.820 0.494 0.000 2.342 138 A HA 0.329 4.649 4.320 -0.000 0.000 0.323 138 A C -0.461 177.223 177.584 0.167 0.000 1.125 138 A CA -0.714 51.435 52.037 0.187 0.000 0.785 138 A CB 1.109 20.007 19.000 -0.171 0.000 1.221 138 A HN 0.521 nan 8.150 nan 0.000 0.463 139 N N 2.006 120.774 118.700 0.114 0.000 2.415 139 N HA 0.072 4.812 4.740 -0.000 0.000 0.250 139 N C 1.202 176.752 175.510 0.066 0.000 1.127 139 N CA 0.650 53.760 53.050 0.100 0.000 0.945 139 N CB 0.894 39.431 38.487 0.083 0.000 1.196 139 N HN 0.686 nan 8.380 nan 0.000 0.499 140 T N 0.175 114.778 114.554 0.081 0.000 3.085 140 T HA 0.071 4.421 4.350 -0.000 0.000 0.263 140 T C 1.565 176.313 174.700 0.080 0.000 1.127 140 T CA 0.644 62.782 62.100 0.064 0.000 1.103 140 T CB 0.119 69.029 68.868 0.070 0.000 0.921 140 T HN 0.332 nan 8.240 nan 0.000 0.510 141 A N 1.544 124.410 122.820 0.076 0.000 1.898 141 A HA 0.574 4.894 4.320 -0.000 0.000 0.214 141 A C 2.742 180.385 177.584 0.100 0.000 1.183 141 A CA 1.124 53.207 52.037 0.077 0.000 0.622 141 A CB -1.209 17.810 19.000 0.032 0.000 0.824 141 A HN 0.645 nan 8.150 nan 0.000 0.444 142 A N 0.036 122.895 122.820 0.065 0.000 1.930 142 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 142 A C 2.451 180.062 177.584 0.045 0.000 1.175 142 A CA 1.879 53.946 52.037 0.050 0.000 0.627 142 A CB -0.908 18.115 19.000 0.039 0.000 0.815 142 A HN 0.978 nan 8.150 nan 0.000 0.443 143 A N -1.342 121.508 122.820 0.050 0.000 1.933 143 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 143 A C 2.136 179.724 177.584 0.006 0.000 1.175 143 A CA 1.674 53.732 52.037 0.035 0.000 0.628 143 A CB -0.796 18.220 19.000 0.026 0.000 0.814 143 A HN 0.771 nan 8.150 nan 0.000 0.444 144 Y N 0.310 120.574 120.300 -0.059 0.000 2.163 144 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 144 Y C 2.576 178.426 175.900 -0.083 0.000 1.136 144 Y CA 2.320 60.375 58.100 -0.076 0.000 1.147 144 Y CB -0.368 38.065 38.460 -0.045 0.000 0.987 144 Y HN 0.482 nan 8.280 nan 0.000 0.509 145 Q N 0.778 120.582 119.800 0.008 0.000 2.170 145 Q HA -0.248 4.092 4.340 -0.000 0.000 0.203 145 Q C 1.936 177.845 176.000 -0.151 0.000 0.976 145 Q CA 1.965 57.730 55.803 -0.064 0.000 0.858 145 Q CB -0.355 28.413 28.738 0.049 0.000 0.907 145 Q HN 0.838 nan 8.270 nan 0.000 0.433 146 E N 0.325 120.446 120.200 -0.130 0.000 2.358 146 E HA -0.042 4.308 4.350 -0.000 0.000 0.195 146 E C 0.171 176.632 176.600 -0.231 0.000 1.010 146 E CA -0.157 56.168 56.400 -0.125 0.000 0.856 146 E CB -0.264 29.413 29.700 -0.039 0.000 0.795 146 E HN 0.337 nan 8.360 nan 0.000 0.504 147 L N 2.621 123.613 121.223 -0.385 0.000 2.525 147 L HA 0.138 4.478 4.340 -0.000 0.000 0.278 147 L C -1.996 174.699 176.870 -0.292 0.000 1.218 147 L CA -1.788 52.782 54.840 -0.449 0.000 0.878 147 L CB -0.305 41.454 42.059 -0.500 0.000 1.127 147 L HN -0.071 nan 8.230 nan 0.000 0.492 148 P HA -0.073 nan 4.420 nan 0.000 0.265 148 P C 0.554 177.764 177.300 -0.149 0.000 1.187 148 P CA 0.026 63.044 63.100 -0.137 0.000 0.766 148 P CB 0.553 32.199 31.700 -0.091 0.000 0.820 149 E N 4.546 124.678 120.200 -0.114 0.000 2.097 149 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 149 E C -0.844 175.708 176.600 -0.080 0.000 1.000 149 E CA 1.843 58.182 56.400 -0.102 0.000 0.804 149 E CB -1.259 28.404 29.700 -0.061 0.000 0.740 149 E HN 0.400 nan 8.360 nan 0.000 0.454 150 P HA -0.139 nan 4.420 nan 0.000 0.218 150 P C 1.341 178.614 177.300 -0.045 0.000 1.149 150 P CA 0.787 63.866 63.100 -0.035 0.000 0.817 150 P CB -0.001 31.684 31.700 -0.025 0.000 0.785 151 L N -0.466 120.708 121.223 -0.081 0.000 2.109 151 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 151 L C 2.264 179.062 176.870 -0.121 0.000 1.086 151 L CA 1.597 56.379 54.840 -0.095 0.000 0.760 151 L CB -0.839 41.142 42.059 -0.130 0.000 0.910 151 L HN -0.187 nan 8.230 nan 0.000 0.437 152 R N -0.193 120.186 120.500 -0.202 0.000 2.091 152 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 152 R C 2.193 178.488 176.300 -0.009 0.000 1.136 152 R CA 1.688 57.635 56.100 -0.254 0.000 0.959 152 R CB -0.846 29.189 30.300 -0.441 0.000 0.856 152 R HN 0.584 nan 8.270 nan 0.000 0.437 153 E N 1.571 121.769 120.200 -0.004 0.000 2.077 153 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 153 E C 1.876 178.517 176.600 0.068 0.000 0.989 153 E CA 1.390 57.819 56.400 0.050 0.000 0.800 153 E CB -0.656 29.064 29.700 0.032 0.000 0.746 153 E HN 0.237 nan 8.360 nan 0.000 0.452 154 L N 0.516 121.766 121.223 0.045 0.000 2.017 154 L HA 0.124 4.464 4.340 -0.000 0.000 0.208 154 L C 2.822 179.741 176.870 0.081 0.000 1.073 154 L CA 2.486 57.364 54.840 0.062 0.000 0.745 154 L CB -0.833 41.245 42.059 0.033 0.000 0.894 154 L HN 0.328 nan 8.230 nan 0.000 0.432 155 A N -0.677 122.186 122.820 0.071 0.000 1.948 155 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 155 A C 1.943 179.607 177.584 0.133 0.000 1.177 155 A CA 1.972 54.071 52.037 0.104 0.000 0.636 155 A CB -1.024 18.060 19.000 0.141 0.000 0.815 155 A HN 0.579 nan 8.150 nan 0.000 0.449 156 D N -0.675 119.825 120.400 0.166 0.000 2.271 156 D HA -0.072 4.568 4.640 -0.000 0.000 0.207 156 D C 1.736 178.117 176.300 0.134 0.000 0.983 156 D CA 1.332 55.413 54.000 0.135 0.000 0.878 156 D CB -0.074 40.813 40.800 0.145 0.000 0.920 156 D HN 0.399 nan 8.370 nan 0.000 0.479 157 K N -0.724 119.772 120.400 0.161 0.000 2.354 157 K HA 0.227 4.547 4.320 -0.000 0.000 0.194 157 K C 1.009 177.800 176.600 0.318 0.000 1.038 157 K CA -0.162 56.261 56.287 0.227 0.000 1.052 157 K CB 0.342 32.961 32.500 0.197 0.000 0.861 157 K HN 0.187 nan 8.250 nan 0.000 0.535 158 L N 0.095 121.458 121.223 0.232 0.000 2.375 158 L HA 0.461 4.801 4.340 -0.000 0.000 0.271 158 L C -0.376 176.631 176.870 0.228 0.000 1.107 158 L CA -0.684 54.321 54.840 0.276 0.000 0.806 158 L CB 0.627 42.778 42.059 0.153 0.000 1.146 158 L HN 0.197 nan 8.230 nan 0.000 0.447 159 W N 1.022 122.431 121.300 0.180 0.000 2.844 159 W HA 0.701 5.361 4.660 -0.000 0.000 0.340 159 W C -0.384 176.261 176.519 0.211 0.000 1.093 159 W CA -0.283 57.174 57.345 0.186 0.000 1.212 159 W CB 1.950 31.501 29.460 0.153 0.000 1.422 159 W HN 0.439 nan 8.180 nan 0.000 0.515 160 A N 1.431 124.489 122.820 0.396 0.000 2.413 160 A HA 0.832 5.152 4.320 -0.000 0.000 0.307 160 A C -1.529 176.308 177.584 0.423 0.000 1.087 160 A CA -0.780 51.468 52.037 0.352 0.000 0.750 160 A CB 1.199 20.358 19.000 0.266 0.000 1.296 160 A HN 0.369 nan 8.150 nan 0.000 0.423 161 V N 3.192 123.284 119.914 0.296 0.000 2.406 161 V HA 0.265 4.385 4.120 -0.000 0.000 0.272 161 V C -0.125 176.141 176.094 0.286 0.000 1.043 161 V CA -0.180 62.297 62.300 0.295 0.000 0.915 161 V CB 0.351 32.284 31.823 0.184 0.000 0.988 161 V HN 0.845 nan 8.190 nan 0.000 0.466 162 H N 2.818 122.032 119.070 0.240 0.000 2.458 162 H HA 0.638 5.194 4.556 -0.000 0.000 0.330 162 H C -0.143 175.352 175.328 0.279 0.000 1.111 162 H CA -0.323 55.898 56.048 0.288 0.000 1.245 162 H CB 2.102 32.091 29.762 0.379 0.000 1.456 162 H HN 0.635 nan 8.280 nan 0.000 0.488 163 S N 2.153 118.076 115.700 0.372 0.000 2.541 163 S HA 0.216 4.686 4.470 -0.000 0.000 0.271 163 S C -0.769 173.907 174.600 0.128 0.000 1.133 163 S CA -1.039 57.301 58.200 0.233 0.000 0.876 163 S CB 1.331 64.606 63.200 0.124 0.000 1.105 163 S HN 0.914 nan 8.310 nan 0.000 0.470 193 E N 1.698 122.062 120.200 0.273 0.000 2.275 193 E HA 0.698 5.048 4.350 -0.000 0.000 0.270 193 E C -1.446 175.279 176.600 0.208 0.000 0.882 193 E CA -0.889 55.646 56.400 0.225 0.000 0.758 193 E CB 2.722 32.507 29.700 0.142 0.000 1.195 193 E HN 0.513 nan 8.360 nan 0.000 0.419 194 T N 1.934 116.612 114.554 0.206 0.000 2.912 194 T HA 0.281 4.631 4.350 -0.000 0.000 0.299 194 T C -0.806 173.933 174.700 0.066 0.000 1.052 194 T CA -0.800 61.341 62.100 0.069 0.000 0.996 194 T CB 1.620 70.463 68.868 -0.041 0.000 1.070 194 T HN 0.308 nan 8.240 nan 0.000 0.465 195 E N 2.329 122.556 120.200 0.045 0.000 2.134 195 E HA 0.316 4.666 4.350 -0.000 0.000 0.278 195 E C -0.529 176.159 176.600 0.146 0.000 0.959 195 E CA -0.743 55.805 56.400 0.248 0.000 0.783 195 E CB 0.832 30.741 29.700 0.348 0.000 1.095 195 E HN 0.507 nan 8.360 nan 0.000 0.399 196 H N 2.631 121.843 119.070 0.238 0.000 2.621 196 H HA 0.334 4.890 4.556 -0.000 0.000 0.360 196 H C -2.239 172.763 175.328 -0.542 0.000 1.163 196 H CA -2.259 53.715 56.048 -0.124 0.000 1.194 196 H CB 1.671 31.309 29.762 -0.206 0.000 1.649 196 H HN 0.359 nan 8.280 nan 0.000 0.532 197 P HA -0.014 nan 4.420 nan 0.000 0.272 197 P C 0.899 177.966 177.300 -0.389 0.000 1.223 197 P CA -0.143 62.224 63.100 -1.223 0.000 0.784 197 P CB 1.518 32.607 31.700 -1.019 0.000 0.923 198 V N 1.951 121.722 119.914 -0.238 0.000 2.667 198 V HA -0.089 4.031 4.120 -0.000 0.000 0.252 198 V C 1.135 177.199 176.094 -0.051 0.000 1.065 198 V CA 1.373 63.653 62.300 -0.034 0.000 1.083 198 V CB -0.068 31.775 31.823 0.034 0.000 0.692 198 V HN 0.327 nan 8.190 nan 0.000 0.468 199 V N 1.216 121.059 119.914 -0.119 0.000 2.409 199 V HA 0.420 4.540 4.120 -0.000 0.000 0.291 199 V C 0.026 176.012 176.094 -0.179 0.000 1.020 199 V CA -0.700 61.510 62.300 -0.151 0.000 0.848 199 V CB 1.618 33.336 31.823 -0.175 0.000 0.990 199 V HN 0.380 nan 8.190 nan 0.000 0.430 200 R N 3.784 124.192 120.500 -0.154 0.000 2.460 200 R HA 0.695 5.035 4.340 -0.000 0.000 0.303 200 R C -1.378 174.851 176.300 -0.119 0.000 0.968 200 R CA -0.511 55.518 56.100 -0.120 0.000 0.889 200 R CB 1.863 32.124 30.300 -0.067 0.000 1.123 200 R HN 0.496 nan 8.270 nan 0.000 0.455 201 V N 5.099 124.957 119.914 -0.093 0.000 2.368 201 V HA 0.101 4.221 4.120 -0.000 0.000 0.266 201 V C 0.448 176.533 176.094 -0.015 0.000 1.045 201 V CA -0.566 61.698 62.300 -0.061 0.000 0.899 201 V CB 0.697 32.490 31.823 -0.050 0.000 1.006 201 V HN 0.719 nan 8.190 nan 0.000 0.470 202 H N 9.256 128.280 119.070 -0.076 0.000 3.004 202 H HA 0.072 4.628 4.556 -0.000 0.000 0.316 202 H C -1.456 173.839 175.328 -0.055 0.000 1.014 202 H CA -1.173 54.840 56.048 -0.058 0.000 1.454 202 H CB 1.826 31.559 29.762 -0.047 0.000 1.472 202 H HN 0.415 nan 8.280 nan 0.000 0.571 203 P HA -0.109 nan 4.420 nan 0.000 0.230 203 P C 1.095 178.414 177.300 0.031 0.000 1.158 203 P CA 0.701 63.756 63.100 -0.075 0.000 0.769 203 P CB 0.610 32.214 31.700 -0.160 0.000 0.807 204 I N -0.103 120.601 120.570 0.224 0.000 2.947 204 I HA -0.022 4.148 4.170 -0.000 0.000 0.263 204 I C 2.344 178.537 176.117 0.127 0.000 1.130 204 I CA 1.275 62.681 61.300 0.177 0.000 1.448 204 I CB -1.726 36.392 38.000 0.198 0.000 1.222 204 I HN 0.027 nan 8.210 nan 0.000 0.453 205 S N 0.474 116.258 115.700 0.141 0.000 2.486 205 S HA 0.202 4.672 4.470 -0.000 0.000 0.220 205 S C 1.827 176.418 174.600 -0.015 0.000 1.011 205 S CA 0.642 58.807 58.200 -0.059 0.000 0.921 205 S CB 0.142 63.172 63.200 -0.283 0.000 0.785 205 S HN 0.570 nan 8.310 nan 0.000 0.517 206 G N 1.113 109.943 108.800 0.050 0.000 2.184 206 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.264 206 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.264 206 G C -0.181 174.718 174.900 -0.002 0.000 0.975 206 G CA 0.364 45.478 45.100 0.023 0.000 0.642 206 G HN 0.623 nan 8.290 nan 0.000 0.536 207 E N 0.588 120.775 120.200 -0.021 0.000 2.384 207 E HA 0.366 4.716 4.350 -0.000 0.000 0.266 207 E C 0.814 177.379 176.600 -0.057 0.000 1.012 207 E CA -0.292 56.082 56.400 -0.044 0.000 0.901 207 E CB 0.514 30.166 29.700 -0.079 0.000 0.967 207 E HN 0.372 nan 8.360 nan 0.000 0.435 208 R N 1.176 121.590 120.500 -0.143 0.000 2.441 208 R HA 0.501 4.841 4.340 -0.000 0.000 0.284 208 R C -0.641 175.478 176.300 -0.303 0.000 1.070 208 R CA -0.254 55.633 56.100 -0.355 0.000 1.047 208 R CB 1.176 30.984 30.300 -0.820 0.000 1.016 208 R HN 0.459 nan 8.270 nan 0.000 0.477 209 A N 3.330 126.008 122.820 -0.237 0.000 2.449 209 A HA 0.437 4.757 4.320 -0.000 0.000 0.302 209 A C -0.726 176.822 177.584 -0.060 0.000 1.048 209 A CA -0.822 51.172 52.037 -0.071 0.000 0.708 209 A CB 1.118 20.137 19.000 0.031 0.000 1.274 209 A HN 0.599 nan 8.150 nan 0.000 0.410 210 L N 1.521 122.762 121.223 0.031 0.000 2.416 210 L HA 0.224 4.564 4.340 -0.000 0.000 0.272 210 L C 0.303 177.199 176.870 0.043 0.000 1.161 210 L CA 0.312 55.178 54.840 0.043 0.000 0.845 210 L CB 0.515 42.606 42.059 0.054 0.000 1.119 210 L HN 0.703 nan 8.230 nan 0.000 0.464 211 Q N 5.091 124.924 119.800 0.054 0.000 2.523 211 Q HA 0.509 4.849 4.340 -0.000 0.000 0.251 211 Q C -0.650 175.474 176.000 0.207 0.000 1.033 211 Q CA -0.156 55.700 55.803 0.089 0.000 0.746 211 Q CB 1.612 30.368 28.738 0.029 0.000 1.189 211 Q HN 0.644 nan 8.270 nan 0.000 0.508 212 L N -0.243 121.098 121.223 0.197 0.000 3.080 212 L HA 0.729 5.069 4.340 -0.000 0.000 0.223 212 L C 0.544 177.574 176.870 0.267 0.000 1.949 212 L CA -0.573 54.405 54.840 0.230 0.000 2.355 212 L CB 0.300 42.400 42.059 0.068 0.000 2.276 212 L HN 0.705 nan 8.230 nan 0.000 0.601 213 G N -0.759 108.210 108.800 0.282 0.000 2.760 213 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.246 213 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.246 213 G C 0.089 175.187 174.900 0.329 0.000 1.359 213 G CA 0.717 46.007 45.100 0.317 0.000 0.861 213 G HN 0.897 nan 8.290 nan 0.000 0.541 214 H N -0.398 118.731 119.070 0.098 0.000 2.394 214 H HA -0.057 4.499 4.556 -0.000 0.000 0.297 214 H C 2.279 177.498 175.328 -0.182 0.000 1.113 214 H CA 3.038 59.017 56.048 -0.114 0.000 1.277 214 H CB -0.234 29.311 29.762 -0.362 0.000 1.370 214 H HN 0.437 nan 8.280 nan 0.000 0.506 215 F N -0.308 119.685 119.950 0.072 0.000 2.748 215 F HA 0.090 4.617 4.527 -0.000 0.000 0.299 215 F C 0.849 176.580 175.800 -0.116 0.000 1.154 215 F CA 0.060 58.073 58.000 0.021 0.000 1.446 215 F CB -0.218 38.980 39.000 0.330 0.000 1.112 215 F HN -0.096 nan 8.300 nan 0.000 0.584 216 V N 1.218 121.042 119.914 -0.150 0.000 2.485 216 V HA 0.167 4.287 4.120 -0.000 0.000 0.287 216 V C 1.151 177.075 176.094 -0.284 0.000 1.022 216 V CA 0.636 62.726 62.300 -0.350 0.000 1.067 216 V CB 0.463 32.099 31.823 -0.312 0.000 0.967 216 V HN 0.368 nan 8.190 nan 0.000 0.479 217 K N 5.800 126.108 120.400 -0.154 0.000 2.168 217 K HA 0.239 4.559 4.320 -0.000 0.000 0.201 217 K C 0.870 177.394 176.600 -0.126 0.000 1.049 217 K CA 1.195 57.410 56.287 -0.120 0.000 0.974 217 K CB 0.214 32.701 32.500 -0.021 0.000 0.792 217 K HN 0.865 nan 8.250 nan 0.000 0.463 218 R N -1.160 119.301 120.500 -0.065 0.000 2.709 218 R HA 0.435 4.775 4.340 -0.000 0.000 0.270 218 R C -1.713 174.633 176.300 0.077 0.000 1.038 218 R CA -0.858 55.235 56.100 -0.011 0.000 0.872 218 R CB 0.537 30.857 30.300 0.032 0.000 1.259 218 R HN -0.028 nan 8.270 nan 0.000 0.473 219 I N 1.873 122.518 120.570 0.125 0.000 2.371 219 I HA 0.242 4.412 4.170 -0.000 0.000 0.290 219 I C 0.883 177.181 176.117 0.302 0.000 1.028 219 I CA -0.342 61.083 61.300 0.209 0.000 1.345 219 I CB 0.704 38.787 38.000 0.138 0.000 1.407 219 I HN 0.870 nan 8.210 nan 0.000 0.501 220 K N 3.994 124.585 120.400 0.319 0.000 2.451 220 K HA 0.426 4.746 4.320 -0.000 0.000 0.280 220 K C 1.137 177.903 176.600 0.277 0.000 1.020 220 K CA 0.250 56.696 56.287 0.266 0.000 1.008 220 K CB -0.236 32.415 32.500 0.251 0.000 0.917 220 K HN 1.163 nan 8.250 nan 0.000 0.478 221 G N 0.341 109.205 108.800 0.106 0.000 2.157 221 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.239 221 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.239 221 G C -0.247 174.379 174.900 -0.457 0.000 0.982 221 G CA 0.383 45.403 45.100 -0.134 0.000 0.650 221 G HN 0.849 nan 8.290 nan 0.000 0.527 222 Y N 0.998 121.339 120.300 0.069 0.000 2.536 222 Y HA 0.642 5.192 4.550 -0.000 0.000 0.347 222 Y C 0.982 176.914 175.900 0.054 0.000 1.000 222 Y CA -0.445 57.695 58.100 0.066 0.000 1.051 222 Y CB 1.729 40.239 38.460 0.083 0.000 1.259 222 Y HN 0.407 nan 8.280 nan 0.000 0.468 223 S N 1.177 116.973 115.700 0.161 0.000 2.572 223 S HA -0.005 4.465 4.470 -0.000 0.000 0.267 223 S C 1.105 175.782 174.600 0.130 0.000 1.361 223 S CA -0.492 57.778 58.200 0.116 0.000 1.009 223 S CB 0.477 63.737 63.200 0.100 0.000 0.888 223 S HN 0.791 nan 8.310 nan 0.000 0.553 224 L N 1.870 123.140 121.223 0.078 0.000 1.990 224 L HA -0.080 4.260 4.340 -0.000 0.000 0.213 224 L C 2.760 179.657 176.870 0.044 0.000 1.072 224 L CA 2.535 57.404 54.840 0.049 0.000 0.755 224 L CB -1.343 40.729 42.059 0.022 0.000 0.889 224 L HN 0.965 nan 8.230 nan 0.000 0.432 225 A N -0.828 122.026 122.820 0.056 0.000 1.883 225 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 225 A C 1.989 179.649 177.584 0.126 0.000 1.186 225 A CA 2.196 54.269 52.037 0.060 0.000 0.624 225 A CB -0.952 18.110 19.000 0.102 0.000 0.822 225 A HN 0.564 nan 8.150 nan 0.000 0.444 226 D N -0.888 119.622 120.400 0.182 0.000 2.117 226 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 226 D C 2.261 178.642 176.300 0.136 0.000 0.982 226 D CA 1.405 55.535 54.000 0.217 0.000 0.828 226 D CB -0.432 40.534 40.800 0.276 0.000 0.967 226 D HN 0.381 nan 8.370 nan 0.000 0.464 227 S N 0.043 115.820 115.700 0.128 0.000 2.359 227 S HA -0.237 4.233 4.470 -0.000 0.000 0.224 227 S C 1.881 176.520 174.600 0.065 0.000 1.035 227 S CA 1.435 59.685 58.200 0.082 0.000 1.018 227 S CB -0.107 63.151 63.200 0.096 0.000 0.876 227 S HN 0.241 nan 8.310 nan 0.000 0.448 228 Q N -0.635 119.173 119.800 0.014 0.000 2.084 228 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 228 Q C 2.215 178.212 176.000 -0.006 0.000 0.978 228 Q CA 1.652 57.437 55.803 -0.031 0.000 0.844 228 Q CB -0.282 28.369 28.738 -0.144 0.000 0.898 228 Q HN 0.665 nan 8.270 nan 0.000 0.426 229 H N 0.283 119.396 119.070 0.072 0.000 2.321 229 H HA -0.084 4.472 4.556 -0.000 0.000 0.300 229 H C 2.185 177.539 175.328 0.044 0.000 1.087 229 H CA 1.182 57.262 56.048 0.054 0.000 1.319 229 H CB -0.114 29.669 29.762 0.035 0.000 1.379 229 H HN 0.228 nan 8.280 nan 0.000 0.501 230 L N -0.522 120.784 121.223 0.139 0.000 2.056 230 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 230 L C 2.537 179.454 176.870 0.080 0.000 1.078 230 L CA 0.883 55.753 54.840 0.050 0.000 0.749 230 L CB -0.526 41.484 42.059 -0.082 0.000 0.901 230 L HN 0.099 nan 8.230 nan 0.000 0.433 231 F N 1.098 121.036 119.950 -0.020 0.000 2.075 231 F HA -0.251 4.276 4.527 -0.000 0.000 0.297 231 F C 2.501 178.299 175.800 -0.004 0.000 1.113 231 F CA 1.442 59.433 58.000 -0.015 0.000 1.218 231 F CB -0.263 38.722 39.000 -0.024 0.000 0.984 231 F HN -0.007 nan 8.300 nan 0.000 0.472 232 A N -0.102 122.804 122.820 0.144 0.000 1.908 232 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 232 A C 2.304 179.857 177.584 -0.052 0.000 1.181 232 A CA 2.095 54.154 52.037 0.037 0.000 0.627 232 A CB -1.446 17.612 19.000 0.097 0.000 0.818 232 A HN 0.310 nan 8.150 nan 0.000 0.445 233 V N -0.019 119.896 119.914 0.002 0.000 2.261 233 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 233 V C 2.582 178.694 176.094 0.031 0.000 1.047 233 V CA 2.126 64.439 62.300 0.022 0.000 1.015 233 V CB -0.737 31.118 31.823 0.054 0.000 0.642 233 V HN 0.575 nan 8.190 nan 0.000 0.446 234 L N -0.620 120.568 121.223 -0.059 0.000 2.044 234 L HA -0.157 4.183 4.340 -0.000 0.000 0.205 234 L C 2.610 179.374 176.870 -0.175 0.000 1.075 234 L CA 1.576 56.371 54.840 -0.074 0.000 0.747 234 L CB -0.613 41.388 42.059 -0.096 0.000 0.903 234 L HN 0.334 nan 8.230 nan 0.000 0.435 235 Q N 0.655 120.201 119.800 -0.424 0.000 2.167 235 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 235 Q C 2.030 177.818 176.000 -0.354 0.000 0.970 235 Q CA 1.730 57.220 55.803 -0.523 0.000 0.855 235 Q CB -0.406 27.710 28.738 -1.036 0.000 0.911 235 Q HN 0.383 nan 8.270 nan 0.000 0.438 236 G N -0.781 107.857 108.800 -0.269 0.000 2.443 236 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 236 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 236 G C 1.222 175.943 174.900 -0.297 0.000 1.131 236 G CA 0.746 45.692 45.100 -0.257 0.000 0.775 236 G HN 0.439 nan 8.290 nan 0.000 0.547 237 H N -0.247 118.711 119.070 -0.187 0.000 2.436 237 H HA 0.038 4.594 4.556 -0.000 0.000 0.294 237 H C 2.763 177.981 175.328 -0.183 0.000 1.048 237 H CA 0.970 56.925 56.048 -0.155 0.000 1.353 237 H CB 0.119 29.808 29.762 -0.122 0.000 1.414 237 H HN 0.193 nan 8.280 nan 0.000 0.536 238 V N 0.958 120.793 119.914 -0.131 0.000 2.255 238 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 238 V C 2.567 178.419 176.094 -0.404 0.000 1.051 238 V CA 2.426 64.587 62.300 -0.231 0.000 1.018 238 V CB -0.722 30.937 31.823 -0.273 0.000 0.641 238 V HN 0.581 nan 8.190 nan 0.000 0.445 239 T N -2.464 111.765 114.554 -0.543 0.000 3.107 239 T HA 0.079 4.429 4.350 -0.000 0.000 0.249 239 T C 0.926 175.418 174.700 -0.347 0.000 1.096 239 T CA -0.302 61.369 62.100 -0.716 0.000 1.012 239 T CB -0.277 68.008 68.868 -0.971 0.000 0.977 239 T HN 0.314 nan 8.240 nan 0.000 0.527 240 R N 1.001 121.350 120.500 -0.252 0.000 2.500 240 R HA 0.056 4.396 4.340 -0.000 0.000 0.281 240 R C 1.175 177.415 176.300 -0.100 0.000 0.953 240 R CA -0.072 55.931 56.100 -0.162 0.000 1.108 240 R CB 0.083 30.296 30.300 -0.145 0.000 0.901 240 R HN 0.370 nan 8.270 nan 0.000 0.410 241 L N 3.481 124.668 121.223 -0.060 0.000 2.127 241 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 241 L C 1.754 178.626 176.870 0.004 0.000 1.089 241 L CA 1.443 56.275 54.840 -0.014 0.000 0.757 241 L CB -0.186 41.869 42.059 -0.005 0.000 0.899 241 L HN 0.706 nan 8.230 nan 0.000 0.434 242 E N -0.126 120.070 120.200 -0.007 0.000 2.265 242 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 242 E C 1.299 177.912 176.600 0.022 0.000 0.996 242 E CA 0.680 57.086 56.400 0.009 0.000 0.832 242 E CB -0.076 29.625 29.700 0.001 0.000 0.756 242 E HN 0.370 nan 8.360 nan 0.000 0.491 243 N N 0.147 118.852 118.700 0.007 0.000 2.268 243 N HA 0.011 4.751 4.740 -0.000 0.000 0.204 243 N C -0.336 175.207 175.510 0.055 0.000 1.124 243 N CA 0.404 53.466 53.050 0.020 0.000 0.838 243 N CB 0.573 39.052 38.487 -0.014 0.000 0.994 243 N HN 0.180 nan 8.380 nan 0.000 0.489 244 T N -3.245 111.360 114.554 0.085 0.000 2.930 244 T HA 0.644 4.994 4.350 -0.000 0.000 0.290 244 T C -0.454 174.366 174.700 0.200 0.000 1.052 244 T CA -0.847 61.358 62.100 0.175 0.000 1.017 244 T CB 2.437 71.427 68.868 0.203 0.000 1.137 244 T HN -0.210 nan 8.240 nan 0.000 0.511 245 V N 0.795 120.888 119.914 0.298 0.000 2.760 245 V HA 0.777 4.897 4.120 -0.000 0.000 0.309 245 V C -0.991 175.327 176.094 0.373 0.000 1.077 245 V CA -1.072 61.406 62.300 0.296 0.000 0.910 245 V CB 2.007 34.025 31.823 0.326 0.000 1.008 245 V HN 1.140 nan 8.190 nan 0.000 0.424 246 R N 6.194 126.847 120.500 0.254 0.000 2.494 246 R HA 0.435 4.775 4.340 -0.000 0.000 0.305 246 R C -1.581 174.822 176.300 0.172 0.000 0.959 246 R CA -0.642 55.585 56.100 0.211 0.000 0.864 246 R CB 1.336 31.688 30.300 0.087 0.000 1.159 246 R HN 0.829 nan 8.270 nan 0.000 0.446 247 W N 6.522 127.792 121.300 -0.050 0.000 2.532 247 W HA 0.375 5.035 4.660 -0.000 0.000 0.321 247 W C -1.071 175.254 176.519 -0.323 0.000 1.037 247 W CA -1.074 56.062 57.345 -0.348 0.000 1.220 247 W CB 1.450 30.583 29.460 -0.545 0.000 1.361 247 W HN 0.526 nan 8.180 nan 0.000 0.468 248 R N 5.209 125.227 120.500 -0.804 0.000 2.202 248 R HA 0.186 4.526 4.340 -0.000 0.000 0.334 248 R C -0.969 174.974 176.300 -0.595 0.000 1.036 248 R CA -0.339 55.452 56.100 -0.515 0.000 0.878 248 R CB 0.527 30.594 30.300 -0.387 0.000 1.067 248 R HN 0.433 nan 8.270 nan 0.000 0.457 249 W N 3.145 124.381 121.300 -0.106 0.000 2.261 249 W HA 0.218 4.878 4.660 -0.000 0.000 0.323 249 W C 0.179 176.704 176.519 0.010 0.000 1.243 249 W CA -0.174 57.228 57.345 0.094 0.000 1.210 249 W CB 0.876 30.448 29.460 0.186 0.000 1.149 249 W HN 0.422 nan 8.180 nan 0.000 0.562 250 E N 1.550 121.956 120.200 0.343 0.000 2.256 250 E HA 0.561 4.911 4.350 -0.000 0.000 0.267 250 E C -0.475 176.276 176.600 0.252 0.000 0.892 250 E CA -1.144 55.382 56.400 0.209 0.000 0.775 250 E CB 1.708 31.477 29.700 0.116 0.000 1.207 250 E HN 0.488 nan 8.360 nan 0.000 0.420 251 A N 1.195 124.105 122.820 0.151 0.000 2.565 251 A HA 0.343 4.663 4.320 -0.000 0.000 0.237 251 A C 1.254 178.919 177.584 0.135 0.000 1.053 251 A CA 1.136 53.244 52.037 0.117 0.000 0.755 251 A CB -0.607 18.429 19.000 0.060 0.000 0.980 251 A HN 0.913 nan 8.150 nan 0.000 0.506 252 G N 1.791 110.667 108.800 0.126 0.000 2.199 252 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.254 252 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.254 252 G C -0.020 174.998 174.900 0.197 0.000 0.982 252 G CA 0.395 45.562 45.100 0.111 0.000 0.632 252 G HN 0.871 nan 8.290 nan 0.000 0.529 253 D N 0.190 120.799 120.400 0.349 0.000 2.382 253 D HA 0.525 5.165 4.640 -0.000 0.000 0.245 253 D C 0.304 176.911 176.300 0.511 0.000 1.120 253 D CA 0.209 54.500 54.000 0.486 0.000 0.890 253 D CB 1.791 43.058 40.800 0.779 0.000 1.201 253 D HN 0.197 nan 8.370 nan 0.000 0.433 254 V N 1.286 121.442 119.914 0.403 0.000 2.588 254 V HA 0.689 4.809 4.120 -0.000 0.000 0.304 254 V C -0.126 176.158 176.094 0.317 0.000 1.042 254 V CA -0.879 61.648 62.300 0.378 0.000 0.877 254 V CB 1.769 33.696 31.823 0.173 0.000 0.996 254 V HN 0.670 nan 8.190 nan 0.000 0.425 255 A N 5.893 128.934 122.820 0.369 0.000 2.337 255 A HA 0.946 5.266 4.320 -0.000 0.000 0.329 255 A C -0.840 176.813 177.584 0.114 0.000 1.146 255 A CA -0.564 51.498 52.037 0.042 0.000 0.800 255 A CB 0.908 20.003 19.000 0.158 0.000 1.220 255 A HN 0.760 nan 8.150 nan 0.000 0.472 256 I N 1.511 122.021 120.570 -0.099 0.000 2.465 256 I HA 0.521 4.691 4.170 -0.000 0.000 0.291 256 I C -0.849 175.204 176.117 -0.108 0.000 1.014 256 I CA -0.410 60.851 61.300 -0.066 0.000 1.093 256 I CB 1.600 39.622 38.000 0.036 0.000 1.267 256 I HN 0.929 nan 8.210 nan 0.000 0.431 257 W N 4.316 125.507 121.300 -0.182 0.000 2.864 257 W HA 0.572 5.232 4.660 -0.000 0.000 0.343 257 W C -0.896 175.610 176.519 -0.022 0.000 1.109 257 W CA -0.954 56.280 57.345 -0.185 0.000 1.192 257 W CB 0.615 29.986 29.460 -0.148 0.000 1.426 257 W HN 0.298 nan 8.180 nan 0.000 0.529 258 D N 2.203 122.735 120.400 0.221 0.000 2.393 258 D HA 0.011 4.651 4.640 -0.000 0.000 0.232 258 D C 0.564 177.074 176.300 0.350 0.000 1.192 258 D CA 0.124 54.239 54.000 0.191 0.000 0.882 258 D CB 0.431 41.339 40.800 0.179 0.000 1.038 258 D HN 0.635 nan 8.370 nan 0.000 0.499 259 N N 2.971 121.871 118.700 0.333 0.000 2.573 259 N HA -0.070 4.670 4.740 -0.000 0.000 0.187 259 N C 1.246 176.994 175.510 0.396 0.000 1.107 259 N CA 0.723 54.059 53.050 0.477 0.000 0.918 259 N CB 0.199 38.937 38.487 0.418 0.000 0.966 259 N HN 0.322 nan 8.380 nan 0.000 0.448 260 R N -1.051 119.620 120.500 0.284 0.000 2.240 260 R HA 0.201 4.541 4.340 -0.000 0.000 0.203 260 R C 0.516 176.962 176.300 0.245 0.000 1.011 260 R CA 0.952 57.190 56.100 0.231 0.000 1.007 260 R CB 0.353 30.654 30.300 0.001 0.000 0.911 260 R HN 0.127 nan 8.270 nan 0.000 0.468 261 A N 0.829 123.810 122.820 0.267 0.000 2.568 261 A HA 0.188 4.508 4.320 -0.000 0.000 0.287 261 A C -0.084 177.624 177.584 0.206 0.000 0.967 261 A CA -0.333 51.831 52.037 0.211 0.000 1.004 261 A CB 0.397 19.509 19.000 0.187 0.000 1.233 261 A HN 0.188 nan 8.150 nan 0.000 0.513 262 T N -3.477 111.235 114.554 0.263 0.000 2.816 262 T HA 0.712 5.062 4.350 -0.000 0.000 0.299 262 T C -0.882 173.981 174.700 0.272 0.000 1.230 262 T CA -0.640 61.632 62.100 0.288 0.000 1.007 262 T CB 1.607 70.723 68.868 0.414 0.000 1.289 262 T HN 0.200 nan 8.240 nan 0.000 0.508 263 Q N 0.123 120.079 119.800 0.261 0.000 2.496 263 Q HA 0.585 4.925 4.340 -0.000 0.000 0.286 263 Q C -0.974 175.181 176.000 0.259 0.000 1.103 263 Q CA -1.128 54.797 55.803 0.205 0.000 0.813 263 Q CB 2.131 31.002 28.738 0.222 0.000 1.444 263 Q HN 0.930 nan 8.270 nan 0.000 0.443 264 H N -1.112 117.871 119.070 -0.146 0.000 2.990 264 H HA 0.526 5.082 4.556 -0.000 0.000 0.343 264 H C -1.916 173.033 175.328 -0.631 0.000 1.270 264 H CA -0.740 54.976 56.048 -0.553 0.000 1.118 264 H CB 1.472 30.458 29.762 -1.293 0.000 1.861 264 H HN 0.722 nan 8.280 nan 0.000 0.544 265 Y N 0.745 120.503 120.300 -0.904 0.000 2.358 265 Y HA 0.550 5.100 4.550 -0.000 0.000 0.324 265 Y C -1.624 173.947 175.900 -0.548 0.000 1.123 265 Y CA -0.515 57.052 58.100 -0.887 0.000 1.067 265 Y CB 1.672 39.111 38.460 -1.702 0.000 1.230 265 Y HN 1.031 nan 8.280 nan 0.000 0.429 266 A N 5.607 128.253 122.820 -0.290 0.000 2.269 266 A HA 0.623 4.943 4.320 -0.000 0.000 0.302 266 A C -1.027 176.542 177.584 -0.025 0.000 1.266 266 A CA -0.565 51.419 52.037 -0.089 0.000 0.894 266 A CB 0.094 19.065 19.000 -0.048 0.000 1.147 266 A HN 0.567 nan 8.150 nan 0.000 0.537 267 V N 3.238 123.252 119.914 0.167 0.000 2.470 267 V HA 0.076 4.196 4.120 -0.000 0.000 0.276 267 V C 0.323 176.540 176.094 0.206 0.000 1.040 267 V CA 0.013 62.454 62.300 0.235 0.000 1.008 267 V CB 1.085 33.021 31.823 0.187 0.000 0.990 267 V HN 0.881 nan 8.190 nan 0.000 0.477 268 D N 4.170 124.620 120.400 0.084 0.000 2.638 268 D HA 0.156 4.796 4.640 -0.000 0.000 0.245 268 D C 0.377 176.596 176.300 -0.135 0.000 1.176 268 D CA -0.456 53.498 54.000 -0.078 0.000 0.996 268 D CB 0.319 41.022 40.800 -0.161 0.000 1.012 268 D HN 0.720 nan 8.370 nan 0.000 0.515 269 D N 0.196 120.583 120.400 -0.022 0.000 2.535 269 D HA -0.036 4.604 4.640 -0.000 0.000 0.229 269 D C 0.619 176.935 176.300 0.027 0.000 1.238 269 D CA -0.283 53.714 54.000 -0.005 0.000 0.824 269 D CB -1.019 39.820 40.800 0.065 0.000 1.045 269 D HN 0.509 nan 8.370 nan 0.000 0.500 270 Y N -1.567 118.737 120.300 0.008 0.000 2.467 270 Y HA 0.550 5.100 4.550 -0.000 0.000 0.250 270 Y C 1.405 177.306 175.900 0.001 0.000 1.155 270 Y CA -0.544 57.560 58.100 0.008 0.000 1.249 270 Y CB 0.213 38.681 38.460 0.014 0.000 1.146 270 Y HN 0.054 nan 8.280 nan 0.000 0.524 271 G N 1.791 110.450 108.800 -0.235 0.000 2.556 271 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.283 271 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.283 271 G C 0.946 175.800 174.900 -0.076 0.000 1.177 271 G CA 1.236 46.256 45.100 -0.132 0.000 0.978 271 G HN 0.854 nan 8.290 nan 0.000 0.554 272 T N -0.770 113.789 114.554 0.009 0.000 3.107 272 T HA 0.380 4.730 4.350 -0.000 0.000 0.249 272 T C 0.952 175.713 174.700 0.102 0.000 1.096 272 T CA 1.139 63.266 62.100 0.045 0.000 1.012 272 T CB 0.059 68.940 68.868 0.021 0.000 0.977 272 T HN 0.730 nan 8.240 nan 0.000 0.527 273 Q N 2.891 122.784 119.800 0.154 0.000 2.263 273 Q HA 0.178 4.518 4.340 -0.000 0.000 0.289 273 Q C -2.436 173.655 176.000 0.152 0.000 1.061 273 Q CA -1.369 54.519 55.803 0.141 0.000 0.927 273 Q CB -0.012 28.812 28.738 0.143 0.000 1.154 273 Q HN 0.284 nan 8.270 nan 0.000 0.378 274 P HA 0.020 nan 4.420 nan 0.000 0.268 274 P C -0.940 176.336 177.300 -0.041 0.000 1.205 274 P CA 0.161 63.282 63.100 0.035 0.000 0.771 274 P CB 0.577 32.285 31.700 0.014 0.000 0.858 275 R N 3.157 123.614 120.500 -0.071 0.000 2.515 275 R HA 0.594 4.933 4.340 -0.000 0.000 0.291 275 R C -1.523 174.699 176.300 -0.131 0.000 1.046 275 R CA -0.490 55.495 56.100 -0.193 0.000 0.914 275 R CB 0.899 30.938 30.300 -0.435 0.000 1.191 275 R HN 0.438 nan 8.270 nan 0.000 0.435 276 I N 5.504 125.992 120.570 -0.137 0.000 2.569 276 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 276 I C -0.509 175.523 176.117 -0.141 0.000 1.088 276 I CA -1.131 60.107 61.300 -0.102 0.000 1.047 276 I CB 2.203 40.169 38.000 -0.057 0.000 1.237 276 I HN 0.387 nan 8.210 nan 0.000 0.421 277 V N 2.758 122.594 119.914 -0.131 0.000 2.962 277 V HA 0.702 4.822 4.120 -0.000 0.000 0.313 277 V C -0.725 175.332 176.094 -0.062 0.000 1.099 277 V CA -0.868 61.339 62.300 -0.156 0.000 0.971 277 V CB 2.243 33.915 31.823 -0.251 0.000 1.028 277 V HN 0.746 nan 8.190 nan 0.000 0.430 278 R N 1.559 122.038 120.500 -0.036 0.000 2.561 278 R HA 0.661 5.001 4.340 -0.000 0.000 0.297 278 R C -0.758 175.566 176.300 0.040 0.000 0.969 278 R CA -0.670 55.436 56.100 0.009 0.000 0.879 278 R CB 2.533 32.839 30.300 0.009 0.000 1.178 278 R HN 0.866 nan 8.270 nan 0.000 0.445 279 R N 2.493 123.027 120.500 0.057 0.000 2.562 279 R HA 0.514 4.854 4.340 -0.000 0.000 0.298 279 R C -1.255 175.077 176.300 0.053 0.000 0.961 279 R CA -0.601 55.540 56.100 0.069 0.000 0.881 279 R CB 1.645 32.005 30.300 0.100 0.000 1.159 279 R HN 0.318 nan 8.270 nan 0.000 0.450 280 V N 3.045 122.974 119.914 0.025 0.000 2.495 280 V HA 0.376 4.496 4.120 -0.000 0.000 0.298 280 V C -0.175 175.877 176.094 -0.070 0.000 1.031 280 V CA -0.662 61.640 62.300 0.003 0.000 0.871 280 V CB 1.981 33.807 31.823 0.006 0.000 0.988 280 V HN 0.806 nan 8.190 nan 0.000 0.432 281 T N 6.133 120.648 114.554 -0.065 0.000 2.829 281 T HA 0.673 5.023 4.350 -0.000 0.000 0.282 281 T C -0.342 174.275 174.700 -0.139 0.000 0.990 281 T CA -0.306 61.733 62.100 -0.102 0.000 1.028 281 T CB 0.982 69.831 68.868 -0.032 0.000 0.951 281 T HN 0.360 nan 8.240 nan 0.000 0.460 282 L N 2.194 123.320 121.223 -0.162 0.000 2.325 282 L HA 0.682 5.022 4.340 -0.000 0.000 0.278 282 L C 0.697 177.482 176.870 -0.142 0.000 1.023 282 L CA -1.298 53.438 54.840 -0.173 0.000 0.811 282 L CB 1.214 43.161 42.059 -0.188 0.000 1.249 282 L HN 0.669 nan 8.230 nan 0.000 0.431 283 A N 1.799 124.531 122.820 -0.146 0.000 2.462 283 A HA 0.567 4.887 4.320 -0.000 0.000 0.243 283 A C 0.442 177.945 177.584 -0.136 0.000 1.076 283 A CA 0.387 52.349 52.037 -0.125 0.000 0.773 283 A CB 0.222 19.151 19.000 -0.119 0.000 1.010 283 A HN 0.836 nan 8.150 nan 0.000 0.493 284 G N 0.984 109.695 108.800 -0.149 0.000 2.932 284 G HA2 0.606 4.566 3.960 -0.000 0.000 0.283 284 G HA3 0.606 4.566 3.960 -0.000 0.000 0.283 284 G C -0.816 173.956 174.900 -0.214 0.000 1.336 284 G CA -0.612 44.368 45.100 -0.201 0.000 1.056 284 G HN 0.704 nan 8.290 nan 0.000 0.522 285 E N -1.208 118.839 120.200 -0.254 0.000 2.239 285 E HA 0.496 4.846 4.350 -0.000 0.000 0.261 285 E C -0.300 176.158 176.600 -0.237 0.000 1.016 285 E CA -0.759 55.518 56.400 -0.205 0.000 0.882 285 E CB 1.590 31.181 29.700 -0.182 0.000 1.190 285 E HN 0.202 nan 8.360 nan 0.000 0.415 286 V N 2.915 122.739 119.914 -0.149 0.000 2.521 286 V HA 0.142 4.262 4.120 -0.000 0.000 0.286 286 V C -2.055 173.971 176.094 -0.113 0.000 1.034 286 V CA -1.308 60.929 62.300 -0.105 0.000 1.045 286 V CB 0.181 31.982 31.823 -0.036 0.000 0.974 286 V HN 0.551 nan 8.190 nan 0.000 0.480 287 P HA 0.123 nan 4.420 nan 0.000 0.266 287 P C -0.757 176.523 177.300 -0.033 0.000 1.195 287 P CA 0.111 63.159 63.100 -0.086 0.000 0.768 287 P CB 0.471 32.164 31.700 -0.010 0.000 0.838 288 V N 3.282 123.165 119.914 -0.051 0.000 2.448 288 V HA 0.561 4.681 4.120 -0.000 0.000 0.295 288 V C 0.931 177.000 176.094 -0.040 0.000 1.025 288 V CA -0.431 61.857 62.300 -0.019 0.000 0.859 288 V CB 1.424 33.236 31.823 -0.019 0.000 0.988 288 V HN 0.726 nan 8.190 nan 0.000 0.431 289 G N 2.521 111.310 108.800 -0.019 0.000 2.563 289 G HA2 0.384 4.344 3.960 -0.000 0.000 0.283 289 G HA3 0.384 4.344 3.960 -0.000 0.000 0.283 289 G C 0.990 175.891 174.900 0.001 0.000 1.309 289 G CA -0.290 44.783 45.100 -0.046 0.000 1.022 289 G HN 0.485 nan 8.290 nan 0.000 0.501 290 V N 0.697 120.613 119.914 0.003 0.000 2.667 290 V HA -0.072 4.048 4.120 -0.000 0.000 0.252 290 V C 2.069 178.191 176.094 0.048 0.000 1.065 290 V CA 2.144 64.450 62.300 0.010 0.000 1.083 290 V CB -0.400 31.431 31.823 0.013 0.000 0.692 290 V HN 0.838 nan 8.190 nan 0.000 0.468 291 D N -0.497 119.955 120.400 0.086 0.000 2.325 291 D HA 0.208 4.848 4.640 -0.000 0.000 0.225 291 D C 1.541 177.894 176.300 0.087 0.000 1.096 291 D CA 0.749 54.804 54.000 0.092 0.000 0.844 291 D CB 0.249 41.122 40.800 0.122 0.000 0.925 291 D HN 0.389 nan 8.370 nan 0.000 0.513 292 G N -1.377 107.471 108.800 0.079 0.000 2.176 292 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.253 292 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.253 292 G C 0.543 175.502 174.900 0.098 0.000 0.979 292 G CA 0.458 45.599 45.100 0.068 0.000 0.641 292 G HN 0.881 nan 8.290 nan 0.000 0.530 293 Q N -0.044 119.854 119.800 0.162 0.000 2.394 293 Q HA 0.771 5.111 4.340 -0.000 0.000 0.248 293 Q C 0.381 176.544 176.000 0.271 0.000 0.992 293 Q CA 0.479 56.421 55.803 0.232 0.000 0.888 293 Q CB 0.530 29.473 28.738 0.342 0.000 1.257 293 Q HN 1.011 nan 8.270 nan 0.000 0.462 294 L N 1.002 122.386 121.223 0.268 0.000 2.334 294 L HA 0.517 4.857 4.340 -0.000 0.000 0.273 294 L C 0.467 177.540 176.870 0.339 0.000 1.013 294 L CA -1.080 53.887 54.840 0.213 0.000 0.816 294 L CB 2.277 44.403 42.059 0.112 0.000 1.278 294 L HN 0.786 nan 8.230 nan 0.000 0.431 295 S N 1.513 117.352 115.700 0.231 0.000 2.580 295 S HA 0.365 4.835 4.470 -0.000 0.000 0.266 295 S C -0.187 174.502 174.600 0.148 0.000 1.354 295 S CA -0.445 57.887 58.200 0.221 0.000 1.008 295 S CB 0.409 63.640 63.200 0.053 0.000 0.898 295 S HN 0.695 nan 8.310 nan 0.000 0.555 296 R N -0.571 119.988 120.500 0.098 0.000 2.566 296 R HA 0.396 4.736 4.340 -0.000 0.000 0.271 296 R C -1.591 174.724 176.300 0.026 0.000 1.071 296 R CA -0.685 55.447 56.100 0.053 0.000 0.915 296 R CB 0.406 30.740 30.300 0.057 0.000 1.228 296 R HN 0.433 nan 8.270 nan 0.000 0.449 297 T N 2.256 116.833 114.554 0.038 0.000 2.901 297 T HA 0.113 4.463 4.350 -0.000 0.000 0.301 297 T C 1.093 175.831 174.700 0.064 0.000 1.012 297 T CA 0.494 62.638 62.100 0.073 0.000 1.135 297 T CB 1.136 70.076 68.868 0.120 0.000 0.936 297 T HN 0.743 nan 8.240 nan 0.000 0.539 298 T N 0.305 114.902 114.554 0.073 0.000 2.975 298 T HA 0.298 4.648 4.350 -0.000 0.000 0.257 298 T C 0.689 175.414 174.700 0.042 0.000 1.003 298 T CA -0.464 61.667 62.100 0.051 0.000 0.932 298 T CB 0.584 69.483 68.868 0.052 0.000 1.087 298 T HN 0.356 nan 8.240 nan 0.000 0.512 299 R N 0.000 120.532 120.500 0.053 0.000 2.786 299 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 299 R CA 0.000 56.110 56.100 0.016 0.000 0.921 299 R CB 0.000 30.311 30.300 0.018 0.000 0.687 299 R HN 0.000 nan 8.270 nan 0.000 0.535